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DOI: 10.19061/iochem-bd-6-516
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Collection's Items (Sorted by Submit Date in Descending order): 1061 to 1080 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | cloransulam-methyl_CONF302_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2187.70402912; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF303_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2187.70482797; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF309_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2187.70224207; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF31_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2187.70400508; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF313_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2187.70447394; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF315_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2187.70468439; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF32_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2187.70414780; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF33_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2187.70376158; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF34_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2187.70387784; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF38_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2187.70378802; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF39_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2187.70405532; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF41_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2187.70383951; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF42_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2187.70410626; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF44_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2187.70426171; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF45_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2187.70432324; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF48_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2187.70397754; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF50_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2187.70393140; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF51_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2187.70397196; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF52_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2187.70392664; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF54_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2187.70400172; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1061 to 1080 of 5986
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